N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine

C28H34N8 — CID 71525358

IUPACN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(CNC4CCNCC4)c3)nn3ccnc23)n1
InChIInChI=1S/C28H34N8/c1-20-5-4-15-35(20)27-9-3-8-26(33-27)32-25-18-24(34-36-16-14-30-28(25)36)22-7-2-6-21(17-22)19-31-23-10-12-29-13-11-23/h2-3,6-9,14,16-18,20,23,29,31H,4-5,10-13,15,19H2,1H3,(H,32,33)
InChIKeyHZQSZSYYPVFONP-UHFFFAOYSA-N
MW482.64 g/mol
LogP4.37
Rot. Bonds7

About N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine

N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 71525358) has the molecular formula C28H34N8 and a molecular weight of 482.64 g/mol. Its IUPAC name is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID71525358
Molecular FormulaC28H34N8
Molecular Weight482.64 g/mol
Exact Mass482.29
IUPAC NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(CNC4CCNCC4)c3)nn3ccnc23)n1
InChIInChI=1S/C28H34N8/c1-20-5-4-15-35(20)27-9-3-8-26(33-27)32-25-18-24(34-36-16-14-30-28(25)36)22-7-2-6-21(17-22)19-31-23-10-12-29-13-11-23/h2-3,6-9,14,16-18,20,23,29,31H,4-5,10-13,15,19H2,1H3,(H,32,33)
InChIKeyHZQSZSYYPVFONP-UHFFFAOYSA-N
XLogP4.37
TPSA82.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.64
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine (CID 71525358) is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine is CC1CCCN1c1cccc(Nc2cc(-c3cccc(CNC4CCNCC4)c3)nn3ccnc23)n1.
What is the InChIKey of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is HZQSZSYYPVFONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8/c1-20-5-4-15-35(20)27-9-3-8-26(33-27)32-25-18-24(34-36-16-14-30-28(25)36)22-7-2-6-21(17-22)19-31-23-10-12-29-13-11-23/h2-3,6-9,14,16-18,20,23,29,31H,4-5,10-13,15,19H2,1H3,(H,32,33).
What are the key properties of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine?
N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 482.64 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71525358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).